N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide

C9H15F2NO — CID 131046412

IUPACN-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-6(2)8(13)12-5-7-3-9(10,11)4-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyQZFTUKVBSGSXQF-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.80
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide

N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide (PubChem CID 131046412) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide
PubChem CID131046412
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-6(2)8(13)12-5-7-3-9(10,11)4-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyQZFTUKVBSGSXQF-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide (CID 131046412) is N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide?
The InChIKey is QZFTUKVBSGSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(2)8(13)12-5-7-3-9(10,11)4-7/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide?
N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide has a molecular weight of 191.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 131046412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).